SCHEMBL21724593

SCHEMBL21724593

CCCCCCCCCCCCONC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
NAAA Q02083 1/20 0.47
CES2 O00748 1/20 0.45
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
FAAH O00519 1/20 0.43
ACHE P22303 6/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11670372 1.00 EPHX1 (0.48) EPHX1NAAACES2CNR2TRPV1
SCHEMBL3267106 1.00 EPHX1 (0.48) EPHX1NAAACES2CNR2TRPV1
SCHEMBL1756788 0.98 EPHX1 (0.45) EPHX1NAAACES2CNR2TRPV1
SCHEMBL1757360 0.91
SCHEMBL11670002 0.89 CNR2 (0.59) CNR2TRPV1FAAHMEN1LMNA
Urea SCHEMBL27771104 0.89 RAB9A (0.46) EPHX1CNR2TRPV1ACHETSHR
SCHEMBL27710337 0.85 EPHX1 (0.47) EPHX1NAAACES2CNR2TRPV1
SCHEMBL8516233 0.83 EPHX1 (0.48) EPHX1NAAACES2CNR2TRPV1
SCHEMBL18525732 0.83 CES2 (0.50) EPHX1NAAACES2CNR2TRPV1
SCHEMBL4762004 0.83 CES2 (0.50) EPHX1NAAACES2CNR2TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP claimed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US claimed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO claimed
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 EPHX1 1102/4885NAAA 997/4885CES2 137/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 EPHX1 1102/4885NAAA 997/4885CES2 137/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.